N-[4-(ethoxymethyl)phenyl]-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C20H18FN5O — CID 133428327

IUPACN-[4-(ethoxymethyl)phenyl]-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCCOCc1ccc(Nc2ccc3nnc(-c4ccccc4F)n3n2)cc1
InChIInChI=1S/C20H18FN5O/c1-2-27-13-14-7-9-15(10-8-14)22-18-11-12-19-23-24-20(26(19)25-18)16-5-3-4-6-17(16)21/h3-12H,2,13H2,1H3,(H,22,25)
InChIKeyPICIXWHVHOFFFV-UHFFFAOYSA-N
MW363.40 g/mol
LogP4.21
Rot. Bonds6

About N-[4-(ethoxymethyl)phenyl]-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

N-[4-(ethoxymethyl)phenyl]-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 133428327) has the molecular formula C20H18FN5O and a molecular weight of 363.40 g/mol. Its IUPAC name is N-[4-(ethoxymethyl)phenyl]-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[4-(ethoxymethyl)phenyl]-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID133428327
Molecular FormulaC20H18FN5O
Molecular Weight363.40 g/mol
Exact Mass363.15
IUPAC NameN-[4-(ethoxymethyl)phenyl]-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCCOCc1ccc(Nc2ccc3nnc(-c4ccccc4F)n3n2)cc1
InChIInChI=1S/C20H18FN5O/c1-2-27-13-14-7-9-15(10-8-14)22-18-11-12-19-23-24-20(26(19)25-18)16-5-3-4-6-17(16)21/h3-12H,2,13H2,1H3,(H,22,25)
InChIKeyPICIXWHVHOFFFV-UHFFFAOYSA-N
XLogP4.21
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,2-dimethylbenzimidazol-5-yl)-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133428180
N-[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 167878418
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133425100
(2S)-2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]butan-1-ol
CID 133434777
2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-3-methylpentanamide
CID 133443774
3-(2-fluorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 47072288
N-[[4-(difluoromethyl)phenyl]methyl]-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133474592
1-N-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-N-phenylpropane-1,2-diamine
CID 133429685
N'-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-quinolin-2-ylethane-1,2-diamine
CID 133309787
3-(2-fluorophenyl)-N-[(4-pyridin-3-ylphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133332673
N-[1-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2-methylpropan-2-yl]methanesulfonamide
CID 133296185
6-chloro-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 43144392

Frequently Asked Questions

What is the IUPAC name of N-[4-(ethoxymethyl)phenyl]-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-[4-(ethoxymethyl)phenyl]-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 133428327) is N-[4-(ethoxymethyl)phenyl]-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-[4-(ethoxymethyl)phenyl]-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-[4-(ethoxymethyl)phenyl]-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is CCOCc1ccc(Nc2ccc3nnc(-c4ccccc4F)n3n2)cc1.
What is the InChIKey of N-[4-(ethoxymethyl)phenyl]-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is PICIXWHVHOFFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O/c1-2-27-13-14-7-9-15(10-8-14)22-18-11-12-19-23-24-20(26(19)25-18)16-5-3-4-6-17(16)21/h3-12H,2,13H2,1H3,(H,22,25).
What are the key properties of N-[4-(ethoxymethyl)phenyl]-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-[4-(ethoxymethyl)phenyl]-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 363.40 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethoxymethyl)phenyl]-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 133428327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).